5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one

C16H16FN3O — CID 43451681

IUPAC5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCCc1ccc(F)cc1)NC(=O)C2
InChIInChI=1S/C16H16FN3O/c17-12-3-1-10(2-4-12)5-6-19-15-9-14-11(7-13(15)18)8-16(21)20-14/h1-4,7,9,19H,5-6,8,18H2,(H,20,21)
InChIKeyGIGGSWPEZZLDAK-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.56
Rot. Bonds4

About 5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one

5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one (PubChem CID 43451681) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
PubChem CID43451681
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one
SMILESNc1cc2c(cc1NCCc1ccc(F)cc1)NC(=O)C2
InChIInChI=1S/C16H16FN3O/c17-12-3-1-10(2-4-12)5-6-19-15-9-14-11(7-13(15)18)8-16(21)20-14/h1-4,7,9,19H,5-6,8,18H2,(H,20,21)
InChIKeyGIGGSWPEZZLDAK-UHFFFAOYSA-N
XLogP2.56
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one (CID 43451681) is 5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one is Nc1cc2c(cc1NCCc1ccc(F)cc1)NC(=O)C2.
What is the InChIKey of 5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
The InChIKey is GIGGSWPEZZLDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-12-3-1-10(2-4-12)5-6-19-15-9-14-11(7-13(15)18)8-16(21)20-14/h1-4,7,9,19H,5-6,8,18H2,(H,20,21).
What are the key properties of 5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one?
5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(4-fluorophenyl)ethylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).